%chk=000176976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176976

0 1
 O   -4.576300      0.6712000      0.1116000    
 O    1.319900       1.708000       1.353700    
 N   -1.520500       1.398800     -0.3617000    
 N    1.679300      -1.581000      0.5588000    
 C   -2.605500     -0.7918000     -0.3335000    
 C   -3.577900     -0.1948000      0.6702000    
 C   -3.570500       1.294400      0.9245000    
 C   -1.996300      0.3162000      -1.224900    
 C   -2.634000       2.188000      0.1653000    
 C   -1.486200      -1.591500      0.4079000    
 C   -3.371600      -1.785000      -1.232500    
 C  -0.4542000       2.196500     -0.9342000    
 C  -0.5211000     -0.7984000       1.300800    
 C    1.414700      0.8043000      0.2750000    
 C   0.8614000       1.405300      -1.035000    
 C   0.8440000     -0.5846000      0.6882000    
 C   -4.020500      -2.868900     -0.4042000    
 C    2.843000      0.3659000      3.9299998E-02
 C    2.904900      -1.023500      0.1692000    
 C    3.967200       1.109900     -0.2787000    
 C    4.095300      -1.704600     -2.5900001E-02
 C    5.171000      0.4315000     -0.4782000    
 C    5.234000     -0.9660000     -0.3558000    
 H   -3.852300     -0.8358000       1.496600    
 H   -3.874000       1.678500       1.887600    
 H   -1.193200     -0.1315000      -1.819900    
 H   -2.726400      0.7020000      -1.949500    
 H   -3.166200       2.721500     -0.6318000    
 H   -2.253100       2.941700      0.8647000    
 H  -0.9136000      -2.175100     -0.3247000    
 H   -1.957800      -2.316700       1.081600    
 H   -2.698800      -2.238200      -1.970800    
 H   -4.152800      -1.261300      -1.797900    
 H  -0.2643000       3.082200     -0.3148000    
 H  -0.7371000       2.571700      -1.925900    
 H  -0.3316000      -1.404600       2.198600    
 H  -0.9394000      0.1325000       1.684000    
 H   0.7852000      0.6242000      -1.801500    
 H    1.592400       2.124300      -1.431600    
 H   -3.299500      -3.536100      7.4400000E-02
 H   -4.716700      -2.490600      0.3481000    
 H   -4.614900      -3.507000      -1.069600    
 H   0.3814000       1.899700       1.515200    
 H    3.919900       2.188800     -0.3778000    
 H    4.150600      -2.782500      8.2800001E-02
 H    6.068600      0.9887000     -0.7320000    
 H    6.180600      -1.476000     -0.5131000    


%chk=000176976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176976

0 1
O -4.684988 0.688050 0.078555
O 1.266985 1.780909 1.361541
N -1.472526 1.413351 -0.333972
N 1.697628 -1.591145 0.506801
C -2.619570 -0.824348 -0.239172
C -3.589131 -0.135938 0.728308
C -3.605842 1.355935 0.906271
C -1.941697 0.252705 -1.129739
C -2.614438 2.226604 0.139984
C -1.566447 -1.649498 0.562779
C -3.425734 -1.775326 -1.184061
C -0.401871 2.189657 -0.988896
C -0.484025 -0.860372 1.368347
C 1.428841 0.802534 0.276850
C 0.915848 1.396654 -1.083730
C 0.830947 -0.600137 0.662190
C -4.147973 -2.960628 -0.507563
C 2.889490 0.410301 0.070950
C 2.957815 -1.008382 0.106330
C 4.024439 1.177954 -0.214863
C 4.157509 -1.690791 -0.156260
C 5.250422 0.500117 -0.457778
C 5.311388 -0.914812 -0.438231
H -3.954754 -0.755008 1.560497
H -3.992408 1.767512 1.847488
H -1.080041 -0.208579 -1.641022
H -2.659623 0.584739 -1.919884
H -3.159164 2.728635 -0.698787
H -2.228544 3.021933 0.806205
H -1.048749 -2.340651 -0.130579
H -2.111353 -2.291125 1.282169
H -2.724531 -2.168729 -1.949182
H -4.174308 -1.159638 -1.718798
H -0.227820 3.104722 -0.391353
H -0.686516 2.528236 -2.016651
H -0.220957 -1.475713 2.250006
H -0.912002 0.087703 1.733028
H 0.849097 0.581676 -1.827975
H 1.689603 2.093252 -1.458819
H -3.444110 -3.655573 -0.015935
H -4.878193 -2.616600 0.247478
H -4.709276 -3.540985 -1.262388
H 0.286266 1.880803 1.496570
H 3.980234 2.272798 -0.229420
H 4.192522 -2.784212 -0.128924
H 6.159215 1.077997 -0.659366
H 6.265442 -1.416288 -0.636402


